1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 120977124

IUPAC1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1C(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)18(4)16-10)13(19)17(3)15(14(20)21)8-6-5-7-9-15/h5-9H2,1-4H3,(H,20,21)
InChIKeyVVALHKVTRMCTRQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.90
Rot. Bonds3

About 1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120977124) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120977124
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1C(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)18(4)16-10)13(19)17(3)15(14(20)21)8-6-5-7-9-15/h5-9H2,1-4H3,(H,20,21)
InChIKeyVVALHKVTRMCTRQ-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539320
1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120540293
N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 102634585
1-[methyl-(1-methyl-4-nitropyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120689992
1-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362336
1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120540059
2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
CID 60825576
1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539383
1-[methyl-(2-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539616
1-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539486
N-[1-(bromomethyl)cyclohexyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 113275504
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120977124) is 1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1nn(C)c(C)c1C(=O)N(C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VVALHKVTRMCTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-12(11(2)18(4)16-10)13(19)17(3)15(14(20)21)8-6-5-7-9-15/h5-9H2,1-4H3,(H,20,21).
What are the key properties of 1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120977124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).